SCHEMBL23648784

SCHEMBL23648784

CC(=O)N1CCc2c(nn(-c3ccccn3)c2O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
P2RX7 Q99572 7/20 0.42
F12 P00748 2/20 0.42
NOTUM Q6P988 1/20 0.42
FLT3 P36888 1/20 0.39
PTAFR P25105 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R2 O00459 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PIK3R5 Q8WYR1 1/20 0.38
PIK3R3 Q92569 1/20 0.38
BRD4 O60885 1/20 0.38
EP300 Q09472 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28818366 0.89 P2RX7 (0.41) ALDH1A1HPGDHSD17B10P2RX7PIK3CD
SCHEMBL23648657 0.86 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10TSHRP2RX7
SCHEMBL29871289 0.86 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10TSHRP2RX7
SCHEMBL29870905 0.85 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10P2RX7F12
SCHEMBL23648608 0.85 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10P2RX7F12
SCHEMBL29870825 0.85 HSD17B10 (0.41) ALDH1A1HPGDHSD17B10TSHRP2RX7
SCHEMBL23648614 0.85 HSD17B10 (0.41) ALDH1A1HPGDHSD17B10TSHRP2RX7
SCHEMBL23656497 0.82 P2RX7 (0.48) ALDH1A1HPGDHSD17B10TSHRP2RX7
SCHEMBL24750777 0.82 ALDH1A1 (0.58) ALDH1A1HSD17B10
SCHEMBL23656488 0.82 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10USP2TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114945561-A Novel pyrazole derivatives 阿普塔生物治疗公司 2022-08-26 CN claimed
WO-2021145655-A1 NOVEL PYRAZOLE DERIVATIVE 압타바이오 주식회사 2021-07-22 WO claimed
US-12509438-B2 Pyrazole derivative APTABIO THERAPEUTICS INC. (KR) 2025-12-30 US disclosed
US-20230067461-A1 NOVEL PYRAZOLE DERIVATIVE APTABIO THERAPEUTICS INC. (KR) 2023-03-02 US disclosed
US-20230067461-A1 NOVEL PYRAZOLE DERIVATIVE APTABIO THERAPEUTICS INC. (KR) 2023-03-02 US disclosed
EP-4105206-A1 NOVEL PYRAZOLE DERIVATIVE Aptabio Therapeutics Inc. (KR) 2022-12-21 EP disclosed
CN-114945561-A Novel pyrazole derivatives 阿普塔生物治疗公司 2022-08-26 CN disclosed
WO-2021145655-A1 NOVEL PYRAZOLE DERIVATIVE 압타바이오 주식회사 2021-07-22 WO disclosed
WO-2021145655-A1 NOVEL PYRAZOLE DERIVATIVE 압타바이오 주식회사 2021-07-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12509438-B2 Pyrazole derivative CBR3, NR3C2, NR3C1 ALDH1A1 769/4885HPGD 1765/4885HSD17B10 445/4885
US-20230067461-A1 NOVEL PYRAZOLE DERIVATIVE CYP3A5, CYP3A7, CYP3A4 ALDH1A1 507/4885HPGD 1365/4885HSD17B10 875/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.